5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid

C12H22N2O4 — CID 63959613

IUPAC5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCC(C)(C)N(C)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-5-12(2,3)14(4)11(18)13-9(15)7-6-8-10(16)17/h5-8H2,1-4H3,(H,16,17)(H,13,15,18)
InChIKeyNMENEFJCVZRVED-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.60
Rot. Bonds6

About 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid

5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 63959613) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID63959613
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCC(C)(C)N(C)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-5-12(2,3)14(4)11(18)13-9(15)7-6-8-10(16)17/h5-8H2,1-4H3,(H,16,17)(H,13,15,18)
InChIKeyNMENEFJCVZRVED-UHFFFAOYSA-N
XLogP1.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid
CID 63960493
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
5-(dibutylcarbamoylamino)-5-oxopentanoic acid
CID 28983456
5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
CID 102994626
6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447310
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
6-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-6-oxohexanoic acid
CID 102994623
5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid
CID 28931577
6-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 63228435
5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 55228085
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61452796
4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43296183

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid (CID 63959613) is 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid is CCC(C)(C)N(C)C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is NMENEFJCVZRVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-5-12(2,3)14(4)11(18)13-9(15)7-6-8-10(16)17/h5-8H2,1-4H3,(H,16,17)(H,13,15,18).
What are the key properties of 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 63959613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).